Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.72 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.62 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.62 |
| ▸ | AKR1B1 | P15121 | 5/20 | 0.73 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.72 |
| ▸ | P4HB | P07237 | 6/20 | 0.72 |
| ▸ | GAA | P10253 | 6/20 | 0.72 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.72 |
| ▸ | POLB | P06746 | 5/20 | 0.72 |
| ▸ | MAPT | P10636 | 5/20 | 0.72 |
| ▸ | MAOA | P21397 | 4/20 | 0.72 |
| ▸ | XDH | P47989 | 4/20 | 0.72 |
| ▸ | SLCO2B1 | O94956 | 3/20 | 0.72 |
| ▸ | CA12 | O43570 | 2/20 | 0.72 |
| ▸ | CA2 | P00918 | 2/20 | 0.72 |
| ▸ | CA4 | P22748 | 2/20 | 0.72 |
| ▸ | CA7 | P43166 | 2/20 | 0.72 |
| ▸ | ALPI | P09923 | 2/20 | 0.72 |
| ▸ | LMNA | P02545 | 2/20 | 0.72 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24608 | 0.99 | AKR1B1 (0.74) | AKR1B1L3MBTL1KDM4EP4HBGAA | |
| SCHEMBL30772268 | 0.99 | AKR1B1 (0.74) | AKR1B1L3MBTL1KDM4EP4HBGAA | |
| SCHEMBL21408655 | 0.99 | AKR1B1 (0.74) | AKR1B1L3MBTL1KDM4EP4HBGAA | |
| Quercetin SCHEMBL5953872 | 0.96 | AKR1B1 (0.70) | AKR1B1L3MBTL1KDM4EP4HBGAA | |
| Acetone SCHEMBL11411008 | 0.96 | AKR1B1 (0.70) | AKR1B1L3MBTL1KDM4EP4HBGAA | |
| Quercitrin SCHEMBL17628743 | 0.94 | P4HB (0.81) | AKR1B1L3MBTL1KDM4EP4HBGAA | |
| Flavonol SCHEMBL1278210 | 0.89 | AKR1B1 (0.61) | AKR1B1L3MBTL1KDM4EP4HBGAA | |
| SCHEMBL4650695 | 0.88 | KDM4E (0.70) | AKR1B1L3MBTL1KDM4EP4HBGAA | |
| Rutin SCHEMBL22326122 | 0.87 | KDM4E (0.85) | AKR1B1L3MBTL1KDM4EP4HBGAA | |
| Pelargonidin SCHEMBL1947941 | 0.87 | AKR1B1 (0.58) | AKR1B1L3MBTL1KDM4EP4HBGAA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3685825-B1 | ISOQUERCITRIN COMPOSITIONS | ALPS PHARMACEUTICAL IND CO LTD (JP) | 2023-11-01 | — | — | EP | disclosed |
| CN-112955151-B | Isoquercitrin composition | 阿尔卑斯药品工业株式会社 | 2022-04-01 | — | — | CN | disclosed |
| US-20210379093-A1 | COMPOSITIONS OF O-GLYCOSYL FLAVONOIDS | ALPS PHARMACEUTICAL IND. CO., LTD. (JP) | 2021-12-09 | — | — | US | disclosed |
| CN-112955151-A | Isoquercitrin composition | 阿尔卑斯药品工业株式会社 | 2021-06-11 | — | — | CN | disclosed |
| CN-112218641-A | Composition of O-glycoside flavonoid | 阿尔卑斯药品工业株式会社 | 2021-01-12 | — | — | CN | disclosed |
| EP-3752162-A1 | COMPOSITIONS OF O-GLYCOSYL FLAVONOIDS | Alps Pharmaceutical Ind. Co., Ltd. (JP) | 2020-12-23 | — | — | EP | disclosed |
| WO-2020153406-A1 | ISOQUERCITRIN COMPOSITIONS | ALPS PHARMACEUTICAL IND. CO., LTD. (JP) | 2020-07-30 | — | — | WO | disclosed |
| EP-3685825-A1 | ISOQUERCITRIN COMPOSITIONS | Alps Pharmaceutical Ind. Co., Ltd. (JP) | 2020-07-29 | — | — | EP | disclosed |
| US-10617705-B1 | Isoquercitrin compositions | ALPS PHARMACEUTICAL IND. CO., LTD. (JP) | 2020-04-14 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20210379093-A1 | COMPOSITIONS OF O-GLYCOSYL FLAVONOIDS | ARG1, FUT5, ARGLU1 | ADRA2C 2374/4885ADRA2A 2967/4885ACHE 1069/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.